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MXTYAXARXGJDHW-BIENHCINSA-N
SpectraBase Compound ID FwqVYDZRVXb
InChI InChI=1S/C47H41N5O9/c1-27(48-45(57)59-26-35-32-18-8-6-16-30(32)31-17-7-9-19-33(31)35)40(53)49-37-22-12-10-20-34(37)41(54)50-38-24-47(61-43(38)56)36-21-11-13-23-39(36)52-42(55)28(2)51(44(47)52)46(58)60-25-29-14-4-3-5-15-29/h3-23,27-28,35,38,44H,24-26H2,1-2H3,(H,48,57)(H,49,53)(H,50,54)/t27?,28-,38+,44-,47-/m0/s1
InChIKey MXTYAXARXGJDHW-BIENHCINSA-N
Mol Weight 819.9 g/mol
Molecular Formula C47H41N5O9
Exact Mass 819.290428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jy9xOeAh42B
Name MXTYAXARXGJDHW-BIENHCINSA-N
Compound Number 45A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H41N5O9
InChI InChI=1S/C47H41N5O9/c1-27(48-45(57)59-26-35-32-18-8-6-16-30(32)31-17-7-9-19-33(31)35)40(53)49-37-22-12-10-20-34(37)41(54)50-38-24-47(61-43(38)56)36-21-11-13-23-39(36)52-42(55)28(2)51(44(47)52)46(58)60-25-29-14-4-3-5-15-29/h3-23,27-28,35,38,44H,24-26H2,1-2H3,(H,48,57)(H,49,53)(H,50,54)/t27?,28-,38+,44-,47-/m0/s1
InChIKey MXTYAXARXGJDHW-BIENHCINSA-N
Literature Reference Author B.B.SNIDER,H.ZENG
Literature Reference Citation J.ORG.CHEM.,68,545(2003)
Literature Reference DOI 10.1021/jo0264980
Molecular Weight 819.871 g/mol
Solvent CDCl3
Source File Reference UWVN25412